N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline

C56H43NO — CID 170300936

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline (PubChem CID 170300936) has the molecular formula C56H43NO and a molecular weight of 745.97 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline.

Molecular Properties

• Compound Name: N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
• PubChem CID: 170300936
• Molecular Formula: C56H43NO
• Molecular Weight: 745.97 g/mol
• Exact Mass: 745.33
• IUPAC Name: N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
• SMILES: c1cc(-c2cccc3ccccc23)cc(N(c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c2ccccc2-c2cccc3oc4ccccc4c23)c1
• InChI: InChI=1S/C56H43NO/c1-2-17-39(18-3-1)45-30-14-21-40-22-15-31-48(55(40)45)46-26-6-9-33-51(46)57(42-24-12-23-41(37-42)44-29-13-20-38-19-4-5-25-43(38)44)52-34-10-7-27-47(52)49-32-16-36-54-56(49)50-28-8-11-35-53(50)58-54/h4-16,19-37,39H,1-3,17-18H2
• InChIKey: CYRSNXFOKWHJRB-UHFFFAOYSA-N
• XLogP: 16.41
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	745.97
LogP ≤ 5	16.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline?

The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline (CID 170300936) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline.

What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline?

The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline is c1cc(-c2cccc3ccccc23)cc(N(c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c2ccccc2-c2cccc3oc4ccccc4c23)c1.

What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline?

The InChIKey is CYRSNXFOKWHJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H43NO/c1-2-17-39(18-3-1)45-30-14-21-40-22-15-31-48(55(40)45)46-26-6-9-33-51(46)57(42-24-12-23-41(37-42)44-29-13-20-38-19-4-5-25-43(38)44)52-34-10-7-27-47(52)49-32-16-36-54-56(49)50-28-8-11-35-53(50)58-54/h4-16,19-37,39H,1-3,17-18H2.

What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline?

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline has a molecular weight of 745.97 g/mol, XLogP of 16.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 170300936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).